3-(hydroxymethyl)-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]pyrrolidin-3-ol

C13H23N3O2 — CID 77089974

IUPAC3-(hydroxymethyl)-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]pyrrolidin-3-ol
SMILESCCCn1ncc(CN2CCC(O)(CO)C2)c1C
InChIInChI=1S/C13H23N3O2/c1-3-5-16-11(2)12(7-14-16)8-15-6-4-13(18,9-15)10-17/h7,17-18H,3-6,8-10H2,1-2H3
InChIKeySYJDAJZEEKKNTJ-UHFFFAOYSA-N
MW253.35 g/mol
LogP0.53
Rot. Bonds5

About 3-(hydroxymethyl)-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]pyrrolidin-3-ol

3-(hydroxymethyl)-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]pyrrolidin-3-ol (PubChem CID 77089974) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 3-(hydroxymethyl)-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name3-(hydroxymethyl)-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]pyrrolidin-3-ol
PubChem CID77089974
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name3-(hydroxymethyl)-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]pyrrolidin-3-ol
SMILESCCCn1ncc(CN2CCC(O)(CO)C2)c1C
InChIInChI=1S/C13H23N3O2/c1-3-5-16-11(2)12(7-14-16)8-15-6-4-13(18,9-15)10-17/h7,17-18H,3-6,8-10H2,1-2H3
InChIKeySYJDAJZEEKKNTJ-UHFFFAOYSA-N
XLogP0.53
TPSA61.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4,5-Dimethylpyrazol-1-yl)ethanol
CID 58514590
4-{[3-(methoxymethyl)pyrrolidin-1-yl]methyl}-5-methyl-1-propyl-1H-pyrazole
CID 77089640
(3S*,4S*)-1-[(5-methyl-1-propyl-1H-pyrazol-4-yl)methyl]-4-morpholin-4-ylpyrrolidin-3-ol
CID 77091611
trans-4-ethoxy-1-[(5-methyl-1-propyl-1H-pyrazol-4-yl)methyl]pyrrolidin-3-ol
CID 91794079
1-(4,5-Dimethylpyrazol-1-yl)-4,4,4-trifluorobutan-2-ol
CID 139409503
2-[Methyl-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]amino]propan-1-ol
CID 109851923
3-[(1,3-Dimethylpyrazol-4-yl)methyl-(2,2,2-trifluoroethyl)amino]propan-1-ol
CID 109931976
1-[1-[[1-Methyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]pyrrolidin-3-yl]ethanol
CID 109997512
2-[Ethyl-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]amino]ethanol
CID 112225749
3-[(1,5-Dimethylpyrazol-4-yl)methyl-(2,2,2-trifluoroethyl)amino]propan-1-ol
CID 112324104
(2S)-3-[(1,5-dimethylpyrazol-4-yl)methyl-(3,3,3-trifluoropropyl)amino]propane-1,2-diol
CID 112324495
4-[Methyl-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]amino]butan-1-ol
CID 112389680

Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]pyrrolidin-3-ol?
The IUPAC name of 3-(hydroxymethyl)-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]pyrrolidin-3-ol (CID 77089974) is 3-(hydroxymethyl)-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]pyrrolidin-3-ol.
What is the SMILES notation for 3-(hydroxymethyl)-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]pyrrolidin-3-ol?
The canonical SMILES for 3-(hydroxymethyl)-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]pyrrolidin-3-ol is CCCn1ncc(CN2CCC(O)(CO)C2)c1C.
What is the InChIKey of 3-(hydroxymethyl)-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]pyrrolidin-3-ol?
The InChIKey is SYJDAJZEEKKNTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-3-5-16-11(2)12(7-14-16)8-15-6-4-13(18,9-15)10-17/h7,17-18H,3-6,8-10H2,1-2H3.
What are the key properties of 3-(hydroxymethyl)-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]pyrrolidin-3-ol?
3-(hydroxymethyl)-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]pyrrolidin-3-ol has a molecular weight of 253.35 g/mol, XLogP of 0.53, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]pyrrolidin-3-ol is sourced from PubChem (CID 77089974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).